Information card for entry 4025318

Structure parameters

• Formula: C34 H26 O2
• Calculated formula: C34 H26 O2
• SMILES: C(=C(c1ccccc1)\Oc1ccc(OC(=C\c2ccccc2)/c2ccccc2)cc1)\c1ccccc1
• Title of publication: Gold-Catalyzed Intermolecular Hydrophenoxylation of Unactivated Internal Alkynes
• Authors of publication: Malleswara Rao Kuram; M. Bhanuchandra; Akhila K. Sahoo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2247 - 2258
• a: 7.7422 ± 0.0008 Å
• b: 14.6183 ± 0.0015 Å
• c: 10.9539 ± 0.0011 Å
• α: 90°
• β: 94.865 ± 0.002°
• γ: 90°
• Cell volume: 1235.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No